SCHEMBL167753

SCHEMBL167753

CC(C)Oc1cn(-c2ccc(F)cc2)nc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
LMNA P02545 1/20 0.47
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
IRAK4 Q9NWZ3 2/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 2/20 0.39
ITK Q08881 1/20 0.38
PARP1 P09874 1/20 0.37
DDX3X O00571 1/20 0.37
SCN9A Q15858 1/20 0.36
MKNK1 Q9BUB5 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL169117 0.88 KMT2A (0.51) NPC1RAB9ALMNAKDM4EL3MBTL1
SCHEMBL167504 0.87 NPC1 (0.47) NPC1RAB9ALMNAKDM4EL3MBTL1
SCHEMBL168201 0.85 KMT2A (0.50) NPC1RAB9ALMNAKDM4EL3MBTL1
SCHEMBL168302 0.82 NPC1 (0.56) NPC1RAB9ALMNAKDM4EL3MBTL1
SCHEMBL164282 0.79 NPC1 (0.47) NPC1RAB9ALMNAKDM4EL3MBTL1
SCHEMBL31226974 0.76 CA12 (0.56) NPC1RAB9ALMNAKDM4EL3MBTL1
SCHEMBL167729 0.72 KMT2A (0.55) NPC1RAB9ALMNAKDM4EL3MBTL1
SCHEMBL6467527 0.71 KDM4E (0.47) NPC1RAB9ALMNAKDM4EL3MBTL1
SCHEMBL176199 0.71 KMT2A (0.50) NPC1RAB9ALMNAKDM4EL3MBTL1
SCHEMBL13860921 0.71 KMT2A (0.67) NPC1RAB9ALMNAKDM4EL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609091-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS Lead Discovery Center GmbH (DE) 2013-07-03 EP disclosed
WO-2012028332-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2012-03-08 WO disclosed